(2R,4E)-4-hydroxyimino-2-(trifluoromethyl)-3H-chromen-2-ol

C10H8F3NO3 — CID 7285232

IUPAC(2R,4E)-4-hydroxyimino-2-(trifluoromethyl)-3H-chromen-2-ol
SMILESO/N=C1\C[C@](O)(C(F)(F)F)Oc2ccccc21
InChIInChI=1S/C10H8F3NO3/c11-10(12,13)9(15)5-7(14-16)6-3-1-2-4-8(6)17-9/h1-4,15-16H,5H2/b14-7+/t9-/m1/s1
InChIKeyUUGOBBSNVJGXCI-CULDGANSSA-N
MW247.17 g/mol
LogP1.90
Rot. Bonds

About (2R,4E)-4-hydroxyimino-2-(trifluoromethyl)-3H-chromen-2-ol

(2R,4E)-4-hydroxyimino-2-(trifluoromethyl)-3H-chromen-2-ol (PubChem CID 7285232) has the molecular formula C10H8F3NO3 and a molecular weight of 247.17 g/mol. Its IUPAC name is (2R,4E)-4-hydroxyimino-2-(trifluoromethyl)-3H-chromen-2-ol.

Molecular Properties

Compound Name(2R,4E)-4-hydroxyimino-2-(trifluoromethyl)-3H-chromen-2-ol
PubChem CID7285232
Molecular FormulaC10H8F3NO3
Molecular Weight247.17 g/mol
Exact Mass247.05
IUPAC Name(2R,4E)-4-hydroxyimino-2-(trifluoromethyl)-3H-chromen-2-ol
SMILESO/N=C1\C[C@](O)(C(F)(F)F)Oc2ccccc21
InChIInChI=1S/C10H8F3NO3/c11-10(12,13)9(15)5-7(14-16)6-3-1-2-4-8(6)17-9/h1-4,15-16H,5H2/b14-7+/t9-/m1/s1
InChIKeyUUGOBBSNVJGXCI-CULDGANSSA-N
XLogP1.90
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.17
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2R,4E)-4-hydroxyimino-2-(trifluoromethyl)-3H-chromen-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,4E)-4-hydroxyimino-2-(trifluoromethyl)-3H-chromen-2-ol?
The IUPAC name of (2R,4E)-4-hydroxyimino-2-(trifluoromethyl)-3H-chromen-2-ol (CID 7285232) is (2R,4E)-4-hydroxyimino-2-(trifluoromethyl)-3H-chromen-2-ol.
What is the SMILES notation for (2R,4E)-4-hydroxyimino-2-(trifluoromethyl)-3H-chromen-2-ol?
The canonical SMILES for (2R,4E)-4-hydroxyimino-2-(trifluoromethyl)-3H-chromen-2-ol is O/N=C1\C[C@](O)(C(F)(F)F)Oc2ccccc21.
What is the InChIKey of (2R,4E)-4-hydroxyimino-2-(trifluoromethyl)-3H-chromen-2-ol?
The InChIKey is UUGOBBSNVJGXCI-CULDGANSSA-N. The full InChI is InChI=1S/C10H8F3NO3/c11-10(12,13)9(15)5-7(14-16)6-3-1-2-4-8(6)17-9/h1-4,15-16H,5H2/b14-7+/t9-/m1/s1.
What are the key properties of (2R,4E)-4-hydroxyimino-2-(trifluoromethyl)-3H-chromen-2-ol?
(2R,4E)-4-hydroxyimino-2-(trifluoromethyl)-3H-chromen-2-ol has a molecular weight of 247.17 g/mol, XLogP of 1.90, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4E)-4-hydroxyimino-2-(trifluoromethyl)-3H-chromen-2-ol is sourced from PubChem (CID 7285232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).